1,1-dichloro-3-methyl-2,5-dihydrosilole

C5H8Cl2Si — CID 549430

IUPAC1,1-dichloro-3-methyl-2,5-dihydrosilole
SMILESCC1=CC[Si](Cl)(Cl)C1
InChIInChI=1S/C5H8Cl2Si/c1-5-2-3-8(6,7)4-5/h2H,3-4H2,1H3
InChIKeyXOXDMIDVLVWCKI-UHFFFAOYSA-N
MW167.11 g/mol
LogP2.87
Rot. Bonds

About 1,1-dichloro-3-methyl-2,5-dihydrosilole

1,1-dichloro-3-methyl-2,5-dihydrosilole (PubChem CID 549430) has the molecular formula C5H8Cl2Si and a molecular weight of 167.11 g/mol. Its IUPAC name is 1,1-dichloro-3-methyl-2,5-dihydrosilole.

Molecular Properties

Compound Name1,1-dichloro-3-methyl-2,5-dihydrosilole
PubChem CID549430
Molecular FormulaC5H8Cl2Si
Molecular Weight167.11 g/mol
Exact Mass165.98
IUPAC Name1,1-dichloro-3-methyl-2,5-dihydrosilole
SMILESCC1=CC[Si](Cl)(Cl)C1
InChIInChI=1S/C5H8Cl2Si/c1-5-2-3-8(6,7)4-5/h2H,3-4H2,1H3
InChIKeyXOXDMIDVLVWCKI-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-3-methyl-2,5-dihydrosilole?
The IUPAC name of 1,1-dichloro-3-methyl-2,5-dihydrosilole (CID 549430) is 1,1-dichloro-3-methyl-2,5-dihydrosilole.
What is the SMILES notation for 1,1-dichloro-3-methyl-2,5-dihydrosilole?
The canonical SMILES for 1,1-dichloro-3-methyl-2,5-dihydrosilole is CC1=CC[Si](Cl)(Cl)C1.
What is the InChIKey of 1,1-dichloro-3-methyl-2,5-dihydrosilole?
The InChIKey is XOXDMIDVLVWCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2Si/c1-5-2-3-8(6,7)4-5/h2H,3-4H2,1H3.
What are the key properties of 1,1-dichloro-3-methyl-2,5-dihydrosilole?
1,1-dichloro-3-methyl-2,5-dihydrosilole has a molecular weight of 167.11 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-3-methyl-2,5-dihydrosilole is sourced from PubChem (CID 549430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).